N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-phosphanylformamide

C6H12N5OP — CID 166768800

IUPACN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-phosphanylformamide
SMILESNCc1cn(CCNC(=O)P)nn1
InChIInChI=1S/C6H12N5OP/c7-3-5-4-11(10-9-5)2-1-8-6(12)13/h4H,1-3,7,13H2,(H,8,12)
InChIKeyIJDZDIWTPQYAQM-UHFFFAOYSA-N
MW201.17 g/mol
LogP-0.68
Rot. Bonds4

About N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-phosphanylformamide

N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-phosphanylformamide (PubChem CID 166768800) has the molecular formula C6H12N5OP and a molecular weight of 201.17 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-phosphanylformamide.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-phosphanylformamide
PubChem CID166768800
Molecular FormulaC6H12N5OP
Molecular Weight201.17 g/mol
Exact Mass201.08
IUPAC NameN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-phosphanylformamide
SMILESNCc1cn(CCNC(=O)P)nn1
InChIInChI=1S/C6H12N5OP/c7-3-5-4-11(10-9-5)2-1-8-6(12)13/h4H,1-3,7,13H2,(H,8,12)
InChIKeyIJDZDIWTPQYAQM-UHFFFAOYSA-N
XLogP-0.68
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-methylethanamine
CID 115460281
2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine
CID 115460282
3-[4-(aminomethyl)triazol-1-yl]-N-carbamoylpropanamide
CID 62053982
N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide
CID 118975386
3-[4-(aminomethyl)triazol-1-yl]-N-(3,3,3-trifluoropropyl)propanamide
CID 170144500
N-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide
CID 167455307
[1-(2-fluoroethyl)triazol-4-yl]methanamine
CID 80694161
6-[4-(aminomethyl)triazol-1-yl]hexanoic acid
CID 132577398
2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide
CID 62054135
2-[4-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
CID 55029749
N-[[1-[2-(methylcarbamoylamino)ethyl]triazol-4-yl]methyl]formamide
CID 162765450
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-methylcyclopentan-1-amine
CID 115460313

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-phosphanylformamide?
The IUPAC name of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-phosphanylformamide (CID 166768800) is N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-phosphanylformamide.
What is the SMILES notation for N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-phosphanylformamide?
The canonical SMILES for N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-phosphanylformamide is NCc1cn(CCNC(=O)P)nn1.
What is the InChIKey of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-phosphanylformamide?
The InChIKey is IJDZDIWTPQYAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N5OP/c7-3-5-4-11(10-9-5)2-1-8-6(12)13/h4H,1-3,7,13H2,(H,8,12).
What are the key properties of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-phosphanylformamide?
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-phosphanylformamide has a molecular weight of 201.17 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-phosphanylformamide is sourced from PubChem (CID 166768800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).