3-amino-N-(3-propan-2-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide

C9H17N5O2 — CID 62794726

IUPAC3-amino-N-(3-propan-2-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC(C)OCCCNC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C9H17N5O2/c1-6(2)16-5-3-4-11-8(15)7-12-9(10)14-13-7/h6H,3-5H2,1-2H3,(H,11,15)(H3,10,12,13,14)
InChIKeyRYDCMBPRGYNPQM-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.07
Rot. Bonds6

About 3-amino-N-(3-propan-2-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-(3-propan-2-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62794726) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-amino-N-(3-propan-2-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-propan-2-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID62794726
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name3-amino-N-(3-propan-2-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC(C)OCCCNC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C9H17N5O2/c1-6(2)16-5-3-4-11-8(15)7-12-9(10)14-13-7/h6H,3-5H2,1-2H3,(H,11,15)(H3,10,12,13,14)
InChIKeyRYDCMBPRGYNPQM-UHFFFAOYSA-N
XLogP-0.07
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(3R,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 129256175
3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62792644
N-(3-ethoxypropyl)-5-ethyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3-carboxamide
CID 80377919
N-(3-ethoxypropyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3-carboxamide
CID 80379901
5-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 80387217
5-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 80387229
N-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 105920528
N-[2-(2,2-difluoroethoxy)ethyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 105920530
5-tert-butyl-N-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 105920533
N-[2-(2,2-difluoroethoxy)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 105920548
(3-amino-1H-1,2,4-triazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 162278337
[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 162281854

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-propan-2-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(3-propan-2-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide (CID 62794726) is 3-amino-N-(3-propan-2-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(3-propan-2-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(3-propan-2-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide is CC(C)OCCCNC(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N-(3-propan-2-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is RYDCMBPRGYNPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-6(2)16-5-3-4-11-8(15)7-12-9(10)14-13-7/h6H,3-5H2,1-2H3,(H,11,15)(H3,10,12,13,14).
What are the key properties of 3-amino-N-(3-propan-2-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(3-propan-2-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 227.27 g/mol, XLogP of -0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-propan-2-yloxypropyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62794726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).