2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpentanamide

C14H27N5O — CID 63330537

IUPAC2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpentanamide
SMILESCCCC(CN)(CCC)C(=O)NCCc1nncn1C
InChIInChI=1S/C14H27N5O/c1-4-7-14(10-15,8-5-2)13(20)16-9-6-12-18-17-11-19(12)3/h11H,4-10,15H2,1-3H3,(H,16,20)
InChIKeyGGXNXHIACOBAPE-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.02
Rot. Bonds9

About 2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpentanamide

2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpentanamide (PubChem CID 63330537) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpentanamide
PubChem CID63330537
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpentanamide
SMILESCCCC(CN)(CCC)C(=O)NCCc1nncn1C
InChIInChI=1S/C14H27N5O/c1-4-7-14(10-15,8-5-2)13(20)16-9-6-12-18-17-11-19(12)3/h11H,4-10,15H2,1-3H3,(H,16,20)
InChIKeyGGXNXHIACOBAPE-UHFFFAOYSA-N
XLogP1.02
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoacetate
CID 63330652
2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpentanamide
CID 80682163
1-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiourea
CID 63330192
1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 116655956
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 63330181
1-ethyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiourea
CID 116508555
2-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 107905239
2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanediamide
CID 63330292
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
CID 64587074
N-butyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 55201136
2-methyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 79801536
3-hydroxy-3-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 66002045

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpentanamide (CID 63330537) is 2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpentanamide is CCCC(CN)(CCC)C(=O)NCCc1nncn1C.
What is the InChIKey of 2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpentanamide?
The InChIKey is GGXNXHIACOBAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-4-7-14(10-15,8-5-2)13(20)16-9-6-12-18-17-11-19(12)3/h11H,4-10,15H2,1-3H3,(H,16,20).
What are the key properties of 2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpentanamide?
2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpentanamide has a molecular weight of 281.40 g/mol, XLogP of 1.02, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpentanamide is sourced from PubChem (CID 63330537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).