N-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide

C11H21N5O — CID 167455307

IUPACN-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide
SMILESCCCCC(=O)NCCCn1cc(CN)nn1
InChIInChI=1S/C11H21N5O/c1-2-3-5-11(17)13-6-4-7-16-9-10(8-12)14-15-16/h9H,2-8,12H2,1H3,(H,13,17)
InChIKeyQICGPUIXXDUYFV-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.43
Rot. Bonds8

About N-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide

N-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide (PubChem CID 167455307) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide.

Molecular Properties

Compound NameN-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide
PubChem CID167455307
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide
SMILESCCCCC(=O)NCCCn1cc(CN)nn1
InChIInChI=1S/C11H21N5O/c1-2-3-5-11(17)13-6-4-7-16-9-10(8-12)14-15-16/h9H,2-8,12H2,1H3,(H,13,17)
InChIKeyQICGPUIXXDUYFV-UHFFFAOYSA-N
XLogP0.43
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-[3-(4-ethyltriazol-1-yl)propyl]-6-phosphanylhexanamide
CID 153389003
3-[3-[4-(methoxymethyl)triazol-1-yl]propylamino]-3-oxopropane-1-thiolate
CID 144515281
N-butyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
CID 119055237
N-[2-[2-[2-[2-[2-[1-(2-propoxyethyl)triazol-4-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 176686546
3-[4-(aminomethyl)triazol-1-yl]-N-(3,3,3-trifluoropropyl)propanamide
CID 170144500
N-[2-[1-(3-aminopropyl)triazol-4-yl]ethyl]propanamide;ethane
CID 163400080
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[2-[3-[[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[2-[3-[[3-[2-[bis[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[[1-[(Z)-octadec-9-enyl]triazol-4-yl]methyl]amino]propanoylamino]ethyl]amino]propanoylamino]ethyl]amino]propanamide
CID 170389597
3-[4-(methylaminomethyl)triazol-1-yl]propylurea
CID 156794759
2-amino-3-(1-pentyltriazol-4-yl)propanoic acid
CID 91449127
3-[4-(aminomethyl)triazol-1-yl]-N-carbamoylpropanamide
CID 62053982
6-[4-(aminomethyl)triazol-1-yl]hexanoic acid
CID 132577398
2-amino-3-[1-[2-(butylamino)-2-oxoethyl]triazol-4-yl]propanoic acid
CID 116734900

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide?
The IUPAC name of N-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide (CID 167455307) is N-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide.
What is the SMILES notation for N-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide?
The canonical SMILES for N-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide is CCCCC(=O)NCCCn1cc(CN)nn1.
What is the InChIKey of N-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide?
The InChIKey is QICGPUIXXDUYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-2-3-5-11(17)13-6-4-7-16-9-10(8-12)14-15-16/h9H,2-8,12H2,1H3,(H,13,17).
What are the key properties of N-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide?
N-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide has a molecular weight of 239.32 g/mol, XLogP of 0.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide is sourced from PubChem (CID 167455307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).