N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide

C10H11N9O2 — CID 157012057

IUPACN-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCc1nnc(CN(C)C(=O)c2nc(-n3cnnc3)n[nH]2)o1
InChIInChI=1S/C10H11N9O2/c1-6-14-15-7(21-6)3-18(2)9(20)8-13-10(17-16-8)19-4-11-12-5-19/h4-5H,3H2,1-2H3,(H,13,16,17)
InChIKeyPKGPYUKIPKGOEK-UHFFFAOYSA-N
MW289.26 g/mol
LogP-0.65
Rot. Bonds4

About N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide

N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 157012057) has the molecular formula C10H11N9O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID157012057
Molecular FormulaC10H11N9O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC NameN-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCc1nnc(CN(C)C(=O)c2nc(-n3cnnc3)n[nH]2)o1
InChIInChI=1S/C10H11N9O2/c1-6-14-15-7(21-6)3-18(2)9(20)8-13-10(17-16-8)19-4-11-12-5-19/h4-5H,3H2,1-2H3,(H,13,16,17)
InChIKeyPKGPYUKIPKGOEK-UHFFFAOYSA-N
XLogP-0.65
TPSA131.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide (CID 157012057) is N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide is Cc1nnc(CN(C)C(=O)c2nc(-n3cnnc3)n[nH]2)o1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is PKGPYUKIPKGOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N9O2/c1-6-14-15-7(21-6)3-18(2)9(20)8-13-10(17-16-8)19-4-11-12-5-19/h4-5H,3H2,1-2H3,(H,13,16,17).
What are the key properties of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide?
N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 289.26 g/mol, XLogP of -0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 157012057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).