N-(3-amino-4-methylpentyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride

C12H24ClN5O — CID 119657366

IUPACN-(3-amino-4-methylpentyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)CCn1cncn1.Cl
InChIInChI=1S/C12H23N5O.ClH/c1-10(2)11(13)4-6-16(3)12(18)5-7-17-9-14-8-15-17;/h8-11H,4-7,13H2,1-3H3;1H
InChIKeyFVJRQRSOSJYHID-UHFFFAOYSA-N
MW289.81 g/mol
LogP0.92
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride

N-(3-amino-4-methylpentyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride (PubChem CID 119657366) has the molecular formula C12H24ClN5O and a molecular weight of 289.81 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride
PubChem CID119657366
Molecular FormulaC12H24ClN5O
Molecular Weight289.81 g/mol
Exact Mass289.17
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)CCn1cncn1.Cl
InChIInChI=1S/C12H23N5O.ClH/c1-10(2)11(13)4-6-16(3)12(18)5-7-17-9-14-8-15-17;/h8-11H,4-7,13H2,1-3H3;1H
InChIKeyFVJRQRSOSJYHID-UHFFFAOYSA-N
XLogP0.92
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxypropyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 62334205
N-(3-amino-4-methylpentyl)-N-methyl-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 119660814
N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride
CID 119657793
N-(3-amino-4-methylpentyl)-N-methylhexanamide;hydrochloride
CID 119658936
N-(3-amino-4-methylpentyl)-N-methyl-3-pyridin-4-ylpropanamide
CID 81484685
N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 54913567
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
N-(3-amino-4-methylpentyl)-2-(diethylamino)-N-methylacetamide;dihydrochloride
CID 119657669
N-(3-amino-4-methylpentyl)-3-methoxy-N-methylpropanamide
CID 81485025
ethyl 2-[propan-2-yl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate
CID 54896492
N-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 63733343
2-[2-methylpropyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetic acid
CID 55148204

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride (CID 119657366) is N-(3-amino-4-methylpentyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)CCn1cncn1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride?
The InChIKey is FVJRQRSOSJYHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O.ClH/c1-10(2)11(13)4-6-16(3)12(18)5-7-17-9-14-8-15-17;/h8-11H,4-7,13H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 119657366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).