N-(1-amino-2-methylpropan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride

C12H24ClN5O — CID 119521711

IUPACN-(1-amino-2-methylpropan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride
SMILESCC(C)CCn1cc(C(=O)NC(C)(C)CN)nn1.Cl
InChIInChI=1S/C12H23N5O.ClH/c1-9(2)5-6-17-7-10(15-16-17)11(18)14-12(3,4)8-13;/h7,9H,5-6,8,13H2,1-4H3,(H,14,18);1H
InChIKeyOMCXIGLBLYFVFE-UHFFFAOYSA-N
MW289.81 g/mol
LogP1.21
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride (PubChem CID 119521711) has the molecular formula C12H24ClN5O and a molecular weight of 289.81 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride
PubChem CID119521711
Molecular FormulaC12H24ClN5O
Molecular Weight289.81 g/mol
Exact Mass289.17
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride
SMILESCC(C)CCn1cc(C(=O)NC(C)(C)CN)nn1.Cl
InChIInChI=1S/C12H23N5O.ClH/c1-9(2)5-6-17-7-10(15-16-17)11(18)14-12(3,4)8-13;/h7,9H,5-6,8,13H2,1-4H3,(H,14,18);1H
InChIKeyOMCXIGLBLYFVFE-UHFFFAOYSA-N
XLogP1.21
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride
CID 119605820
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide
CID 119605821
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide
CID 119597700
N-(1-amino-4-methylpentan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide
CID 119585740
N-(3-hydroxy-4-methylpentyl)-1-(3-methylbutyl)triazole-4-carboxamide
CID 111460513
N-(6-amino-1,3-benzodioxol-5-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride
CID 119618056
1-(3-methylbutyl)-N-(3-piperazin-1-ylpropyl)triazole-4-carboxamide;hydrochloride
CID 119391025
1-(3-methylbutyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride
CID 120576398
2-[4-(5-methylhexan-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66288776
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-methylbutyl)triazol-4-yl]methanone
CID 119483631
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-(3-methylbutyl)triazole-4-carboxamide
CID 120566761
1-(2-aminoethyl)-N-but-3-yn-2-yltriazole-4-carboxamide
CID 114417029

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride (CID 119521711) is N-(1-amino-2-methylpropan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride is CC(C)CCn1cc(C(=O)NC(C)(C)CN)nn1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride?
The InChIKey is OMCXIGLBLYFVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O.ClH/c1-9(2)5-6-17-7-10(15-16-17)11(18)14-12(3,4)8-13;/h7,9H,5-6,8,13H2,1-4H3,(H,14,18);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119521711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).