N-(3-formamidopropyl)-2H-triazole-4-carboxamide

C7H11N5O2 — CID 110475421

IUPACN-(3-formamidopropyl)-2H-triazole-4-carboxamide
SMILESO=CNCCCNC(=O)c1cn[nH]n1
InChIInChI=1S/C7H11N5O2/c13-5-8-2-1-3-9-7(14)6-4-10-12-11-6/h4-5H,1-3H2,(H,8,13)(H,9,14)(H,10,11,12)
InChIKeyGTEPWNABTWXEEB-UHFFFAOYSA-N
MW197.20 g/mol
LogP-1.33
Rot. Bonds6

About N-(3-formamidopropyl)-2H-triazole-4-carboxamide

N-(3-formamidopropyl)-2H-triazole-4-carboxamide (PubChem CID 110475421) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is N-(3-formamidopropyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-formamidopropyl)-2H-triazole-4-carboxamide
PubChem CID110475421
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC NameN-(3-formamidopropyl)-2H-triazole-4-carboxamide
SMILESO=CNCCCNC(=O)c1cn[nH]n1
InChIInChI=1S/C7H11N5O2/c13-5-8-2-1-3-9-7(14)6-4-10-12-11-6/h4-5H,1-3H2,(H,8,13)(H,9,14)(H,10,11,12)
InChIKeyGTEPWNABTWXEEB-UHFFFAOYSA-N
XLogP-1.33
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorobutyl)-2H-triazole-4-carboxamide
CID 106845435
N-propyl-2H-triazole-4-carboxamide
CID 54219715
methyl 6-(2H-triazole-4-carbonylamino)hexanoate
CID 47336093
N-[2-(carbamoylamino)ethyl]-2H-triazole-4-carboxamide
CID 78995318
N-[3-(2-methylpropoxy)propyl]-2H-triazole-4-carboxamide
CID 47338201
N-[(E)-pent-3-enyl]-2H-triazole-4-carboxamide
CID 115628382
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide
CID 78924905
6-chloro-N-(3-formamidopropyl)pyridine-2-carboxamide
CID 84580412
2H-triazole-4-carbohydrazide
CID 50989778
N-(3-methylbut-2-enyl)-2H-triazole-4-carboxamide
CID 103528182
N-[2-(4-hydroxyphenyl)ethyl]-2H-triazole-4-carboxamide
CID 78969850
N-(2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide
CID 112732753

Frequently Asked Questions

What is the IUPAC name of N-(3-formamidopropyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(3-formamidopropyl)-2H-triazole-4-carboxamide (CID 110475421) is N-(3-formamidopropyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(3-formamidopropyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(3-formamidopropyl)-2H-triazole-4-carboxamide is O=CNCCCNC(=O)c1cn[nH]n1.
What is the InChIKey of N-(3-formamidopropyl)-2H-triazole-4-carboxamide?
The InChIKey is GTEPWNABTWXEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c13-5-8-2-1-3-9-7(14)6-4-10-12-11-6/h4-5H,1-3H2,(H,8,13)(H,9,14)(H,10,11,12).
What are the key properties of N-(3-formamidopropyl)-2H-triazole-4-carboxamide?
N-(3-formamidopropyl)-2H-triazole-4-carboxamide has a molecular weight of 197.20 g/mol, XLogP of -1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formamidopropyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 110475421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).