3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide

C10H17N5O2 — CID 114119097

IUPAC3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCOC1CC(NC(=O)c2nc(N)n[nH]2)C1(C)C
InChIInChI=1S/C10H17N5O2/c1-10(2)5(4-6(10)17-3)12-8(16)7-13-9(11)15-14-7/h5-6H,4H2,1-3H3,(H,12,16)(H3,11,13,14,15)
InChIKeyNKGOQIZPVYIKNU-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.07
Rot. Bonds3

About 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 114119097) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID114119097
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCOC1CC(NC(=O)c2nc(N)n[nH]2)C1(C)C
InChIInChI=1S/C10H17N5O2/c1-10(2)5(4-6(10)17-3)12-8(16)7-13-9(11)15-14-7/h5-6H,4H2,1-3H3,(H,12,16)(H3,11,13,14,15)
InChIKeyNKGOQIZPVYIKNU-UHFFFAOYSA-N
XLogP-0.07
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide (CID 114119097) is 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide is COC1CC(NC(=O)c2nc(N)n[nH]2)C1(C)C.
What is the InChIKey of 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is NKGOQIZPVYIKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-10(2)5(4-6(10)17-3)12-8(16)7-13-9(11)15-14-7/h5-6H,4H2,1-3H3,(H,12,16)(H3,11,13,14,15).
What are the key properties of 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 114119097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).