2-amino-2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pentanamide;dihydrochloride

C16H25Cl2N5O — CID 119846813

IUPAC2-amino-2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pentanamide;dihydrochloride
SMILESCCCC(C)(N)C(=O)NCc1ccccc1Cn1cncn1.Cl.Cl
InChIInChI=1S/C16H23N5O.2ClH/c1-3-8-16(2,17)15(22)19-9-13-6-4-5-7-14(13)10-21-12-18-11-20-21;;/h4-7,11-12H,3,8-10,17H2,1-2H3,(H,19,22);2*1H
InChIKeyLSJQWZAWFBYAHX-UHFFFAOYSA-N
MW374.32 g/mol
LogP2.30
Rot. Bonds7

About 2-amino-2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pentanamide;dihydrochloride

2-amino-2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pentanamide;dihydrochloride (PubChem CID 119846813) has the molecular formula C16H25Cl2N5O and a molecular weight of 374.32 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pentanamide;dihydrochloride
PubChem CID119846813
Molecular FormulaC16H25Cl2N5O
Molecular Weight374.32 g/mol
Exact Mass373.14
IUPAC Name2-amino-2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pentanamide;dihydrochloride
SMILESCCCC(C)(N)C(=O)NCc1ccccc1Cn1cncn1.Cl.Cl
InChIInChI=1S/C16H23N5O.2ClH/c1-3-8-16(2,17)15(22)19-9-13-6-4-5-7-14(13)10-21-12-18-11-20-21;;/h4-7,11-12H,3,8-10,17H2,1-2H3,(H,19,22);2*1H
InChIKeyLSJQWZAWFBYAHX-UHFFFAOYSA-N
XLogP2.30
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide
CID 60847179
2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 42957266
2-amino-2-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide
CID 61165757
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 62447936
2-amino-2-methyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pentanamide;hydrochloride
CID 119718098
1-amino-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119846749
2-amino-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 62880973
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119846811
4-methoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 119846798
2-amino-2-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 60848389
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119846737
3-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 119846768

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pentanamide;dihydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pentanamide;dihydrochloride (CID 119846813) is 2-amino-2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pentanamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pentanamide;dihydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pentanamide;dihydrochloride is CCCC(C)(N)C(=O)NCc1ccccc1Cn1cncn1.Cl.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pentanamide;dihydrochloride?
The InChIKey is LSJQWZAWFBYAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O.2ClH/c1-3-8-16(2,17)15(22)19-9-13-6-4-5-7-14(13)10-21-12-18-11-20-21;;/h4-7,11-12H,3,8-10,17H2,1-2H3,(H,19,22);2*1H.
What are the key properties of 2-amino-2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pentanamide;dihydrochloride?
2-amino-2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pentanamide;dihydrochloride has a molecular weight of 374.32 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pentanamide;dihydrochloride is sourced from PubChem (CID 119846813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).