(1-methylindazol-3-yl)-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone

C16H19N7O — CID 90653710

IUPAC(1-methylindazol-3-yl)-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
SMILESCn1nc(C(=O)N2CCN(Cc3ncn[nH]3)CC2)c2ccccc21
InChIInChI=1S/C16H19N7O/c1-21-13-5-3-2-4-12(13)15(20-21)16(24)23-8-6-22(7-9-23)10-14-17-11-18-19-14/h2-5,11H,6-10H2,1H3,(H,17,18,19)
InChIKeyACBUDLLDNBJJRK-UHFFFAOYSA-N
MW325.38 g/mol
LogP0.65
Rot. Bonds3

About (1-methylindazol-3-yl)-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone

(1-methylindazol-3-yl)-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone (PubChem CID 90653710) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is (1-methylindazol-3-yl)-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylindazol-3-yl)-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
PubChem CID90653710
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name(1-methylindazol-3-yl)-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
SMILESCn1nc(C(=O)N2CCN(Cc3ncn[nH]3)CC2)c2ccccc21
InChIInChI=1S/C16H19N7O/c1-21-13-5-3-2-4-12(13)15(20-21)16(24)23-8-6-22(7-9-23)10-14-17-11-18-19-14/h2-5,11H,6-10H2,1H3,(H,17,18,19)
InChIKeyACBUDLLDNBJJRK-UHFFFAOYSA-N
XLogP0.65
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
1-(4-fluorophenyl)-2-[4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone
CID 24937693
quinolin-4-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 146093141
(3-ethyl-1H-indol-2-yl)-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 119059382
[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 77085773
(4-bromopiperidin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103122439
[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146093390
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103120147
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 166081502
1H-indol-6-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 86284048
4-ethyl-2-methyl-5-[1-(1-methylindazole-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56721319
[3-(methylamino)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103121000

Frequently Asked Questions

What is the IUPAC name of (1-methylindazol-3-yl)-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (1-methylindazol-3-yl)-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone (CID 90653710) is (1-methylindazol-3-yl)-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-methylindazol-3-yl)-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-methylindazol-3-yl)-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone is Cn1nc(C(=O)N2CCN(Cc3ncn[nH]3)CC2)c2ccccc21.
What is the InChIKey of (1-methylindazol-3-yl)-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is ACBUDLLDNBJJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-21-13-5-3-2-4-12(13)15(20-21)16(24)23-8-6-22(7-9-23)10-14-17-11-18-19-14/h2-5,11H,6-10H2,1H3,(H,17,18,19).
What are the key properties of (1-methylindazol-3-yl)-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone?
(1-methylindazol-3-yl)-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 325.38 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindazol-3-yl)-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 90653710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).