N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-2-methyl-1,2,4-triazole-3-carboxamide

C10H16N4O — CID 164638821

IUPACN-[[(1S)-2,2-dimethylcyclopropyl]methyl]-2-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1ncnc1C(=O)NC[C@H]1CC1(C)C
InChIInChI=1S/C10H16N4O/c1-10(2)4-7(10)5-11-9(15)8-12-6-13-14(8)3/h6-7H,4-5H2,1-3H3,(H,11,15)/t7-/m1/s1
InChIKeyMXIUELRYNXNEQI-SSDOTTSWSA-N
MW208.26 g/mol
LogP0.59
Rot. Bonds3

About N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-2-methyl-1,2,4-triazole-3-carboxamide

N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-2-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 164638821) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-2-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(1S)-2,2-dimethylcyclopropyl]methyl]-2-methyl-1,2,4-triazole-3-carboxamide
PubChem CID164638821
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN-[[(1S)-2,2-dimethylcyclopropyl]methyl]-2-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1ncnc1C(=O)NC[C@H]1CC1(C)C
InChIInChI=1S/C10H16N4O/c1-10(2)4-7(10)5-11-9(15)8-12-6-13-14(8)3/h6-7H,4-5H2,1-3H3,(H,11,15)/t7-/m1/s1
InChIKeyMXIUELRYNXNEQI-SSDOTTSWSA-N
XLogP0.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-2-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-2-methyl-1,2,4-triazole-3-carboxamide (CID 164638821) is N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-2-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-2-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-2-methyl-1,2,4-triazole-3-carboxamide is Cn1ncnc1C(=O)NC[C@H]1CC1(C)C.
What is the InChIKey of N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-2-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is MXIUELRYNXNEQI-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16N4O/c1-10(2)4-7(10)5-11-9(15)8-12-6-13-14(8)3/h6-7H,4-5H2,1-3H3,(H,11,15)/t7-/m1/s1.
What are the key properties of N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-2-methyl-1,2,4-triazole-3-carboxamide?
N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-2-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-2-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 164638821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).