1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide

C17H21N9O2 — CID 11760761

IUPAC1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide
SMILESNc1nonc1-n1nnc(C(=O)NCc2ccncc2)c1CN1CCCCC1
InChIInChI=1S/C17H21N9O2/c18-15-16(23-28-22-15)26-13(11-25-8-2-1-3-9-25)14(21-24-26)17(27)20-10-12-4-6-19-7-5-12/h4-7H,1-3,8-11H2,(H2,18,22)(H,20,27)
InChIKeyZAPJWNSGWGJJBP-UHFFFAOYSA-N
MW383.42 g/mol
LogP0.54
Rot. Bonds6

About 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide (PubChem CID 11760761) has the molecular formula C17H21N9O2 and a molecular weight of 383.42 g/mol. Its IUPAC name is 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide
PubChem CID11760761
Molecular FormulaC17H21N9O2
Molecular Weight383.42 g/mol
Exact Mass383.18
IUPAC Name1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide
SMILESNc1nonc1-n1nnc(C(=O)NCc2ccncc2)c1CN1CCCCC1
InChIInChI=1S/C17H21N9O2/c18-15-16(23-28-22-15)26-13(11-25-8-2-1-3-9-25)14(21-24-26)17(27)20-10-12-4-6-19-7-5-12/h4-7H,1-3,8-11H2,(H2,18,22)(H,20,27)
InChIKeyZAPJWNSGWGJJBP-UHFFFAOYSA-N
XLogP0.54
TPSA140.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[2-(4-fluorophenyl)ethyl]-5-(piperidin-1-ylmethyl)triazole-4-carboxamide
CID 142136453
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-N-[(E)-pyridin-2-ylmethylideneamino]triazole-4-carboxamide
CID 6877478
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[(2S)-2-phenylpropylidene]amino]-5-(piperidin-1-ylmethyl)triazole-4-carboxamide
CID 40732636
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-(piperidin-1-ylmethyl)triazole-4-carboxamide
CID 3493737
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]triazole-4-carboxylic acid
CID 1205231
4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 17398321
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(2-hydroxy-1H-indol-3-yl)imino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide
CID 3132776
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propyl-N-[(E)-pyridin-4-ylmethylideneamino]triazole-4-carboxamide
CID 6868554
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]-5-(morpholin-4-ylmethyl)triazole-4-carboxamide
CID 46502664
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-5-[(4-methylpiperazin-1-yl)methyl]triazole-4-carboxamide
CID 135909200
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]triazole-4-carboxylate
CID 10273380
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-N-[(Z)-furan-2-ylmethylideneamino]triazole-4-carboxamide
CID 6179744

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide (CID 11760761) is 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide is Nc1nonc1-n1nnc(C(=O)NCc2ccncc2)c1CN1CCCCC1.
What is the InChIKey of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide?
The InChIKey is ZAPJWNSGWGJJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N9O2/c18-15-16(23-28-22-15)26-13(11-25-8-2-1-3-9-25)14(21-24-26)17(27)20-10-12-4-6-19-7-5-12/h4-7H,1-3,8-11H2,(H2,18,22)(H,20,27).
What are the key properties of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide?
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 11760761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).