N-[[1-[3-[4-(formamidomethyl)triazol-1-yl]propyl]triazol-4-yl]methyl]formamide

C11H16N8O2 — CID 145496803

IUPACN-[[1-[3-[4-(formamidomethyl)triazol-1-yl]propyl]triazol-4-yl]methyl]formamide
SMILESO=CNCc1cn(CCCn2cc(CNC=O)nn2)nn1
InChIInChI=1S/C11H16N8O2/c20-8-12-4-10-6-18(16-14-10)2-1-3-19-7-11(15-17-19)5-13-9-21/h6-9H,1-5H2,(H,12,20)(H,13,21)
InChIKeyVWBDTPOATRLKKI-UHFFFAOYSA-N
MW292.30 g/mol
LogP-1.55
Rot. Bonds10

About N-[[1-[3-[4-(formamidomethyl)triazol-1-yl]propyl]triazol-4-yl]methyl]formamide

N-[[1-[3-[4-(formamidomethyl)triazol-1-yl]propyl]triazol-4-yl]methyl]formamide (PubChem CID 145496803) has the molecular formula C11H16N8O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-[[1-[3-[4-(formamidomethyl)triazol-1-yl]propyl]triazol-4-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[1-[3-[4-(formamidomethyl)triazol-1-yl]propyl]triazol-4-yl]methyl]formamide
PubChem CID145496803
Molecular FormulaC11H16N8O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC NameN-[[1-[3-[4-(formamidomethyl)triazol-1-yl]propyl]triazol-4-yl]methyl]formamide
SMILESO=CNCc1cn(CCCn2cc(CNC=O)nn2)nn1
InChIInChI=1S/C11H16N8O2/c20-8-12-4-10-6-18(16-14-10)2-1-3-19-7-11(15-17-19)5-13-9-21/h6-9H,1-5H2,(H,12,20)(H,13,21)
InChIKeyVWBDTPOATRLKKI-UHFFFAOYSA-N
XLogP-1.55
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[2-(methylcarbamoylamino)ethyl]triazol-4-yl]methyl]formamide
CID 162765450
N-[(1-pentyltriazol-4-yl)methyl]propan-1-amine
CID 66194122
3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268362
4,4-dimethyl-N-[[1-(5-oxopentyl)triazol-4-yl]methyl]pentanamide
CID 155323027
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide
CID 66269111
N-methyl-1-[1-(3-methylsulfonylpropyl)triazol-4-yl]methanamine
CID 66216457
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide
CID 66270629
methyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate
CID 66268145
7-[4-(methylaminomethyl)triazol-1-yl]heptan-2-one
CID 142439684
N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine
CID 66192433
3-[4-(methylaminomethyl)triazol-1-yl]propylurea
CID 156794759
N-[[1-(3-pyrrolidin-1-ylpropyl)triazol-4-yl]methyl]propan-2-amine
CID 66192005

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-[4-(formamidomethyl)triazol-1-yl]propyl]triazol-4-yl]methyl]formamide?
The IUPAC name of N-[[1-[3-[4-(formamidomethyl)triazol-1-yl]propyl]triazol-4-yl]methyl]formamide (CID 145496803) is N-[[1-[3-[4-(formamidomethyl)triazol-1-yl]propyl]triazol-4-yl]methyl]formamide.
What is the SMILES notation for N-[[1-[3-[4-(formamidomethyl)triazol-1-yl]propyl]triazol-4-yl]methyl]formamide?
The canonical SMILES for N-[[1-[3-[4-(formamidomethyl)triazol-1-yl]propyl]triazol-4-yl]methyl]formamide is O=CNCc1cn(CCCn2cc(CNC=O)nn2)nn1.
What is the InChIKey of N-[[1-[3-[4-(formamidomethyl)triazol-1-yl]propyl]triazol-4-yl]methyl]formamide?
The InChIKey is VWBDTPOATRLKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N8O2/c20-8-12-4-10-6-18(16-14-10)2-1-3-19-7-11(15-17-19)5-13-9-21/h6-9H,1-5H2,(H,12,20)(H,13,21).
What are the key properties of N-[[1-[3-[4-(formamidomethyl)triazol-1-yl]propyl]triazol-4-yl]methyl]formamide?
N-[[1-[3-[4-(formamidomethyl)triazol-1-yl]propyl]triazol-4-yl]methyl]formamide has a molecular weight of 292.30 g/mol, XLogP of -1.55, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-[4-(formamidomethyl)triazol-1-yl]propyl]triazol-4-yl]methyl]formamide is sourced from PubChem (CID 145496803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).