N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpropan-2-amine

C9H18N4 — CID 156857462

IUPACN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpropan-2-amine
SMILESCc1nnc(CN(C)C(C)C)n1C
InChIInChI=1S/C9H18N4/c1-7(2)12(4)6-9-11-10-8(3)13(9)5/h7H,6H2,1-5H3
InChIKeyCVAKMUGEQLWUBI-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.96
Rot. Bonds3

About N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpropan-2-amine

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpropan-2-amine (PubChem CID 156857462) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpropan-2-amine
PubChem CID156857462
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpropan-2-amine
SMILESCc1nnc(CN(C)C(C)C)n1C
InChIInChI=1S/C9H18N4/c1-7(2)12(4)6-9-11-10-8(3)13(9)5/h7H,6H2,1-5H3
InChIKeyCVAKMUGEQLWUBI-UHFFFAOYSA-N
XLogP0.96
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-propan-2-yloxypropan-2-ol
CID 110936162
methyl 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-2-methylpropanoate
CID 61235969
(1R)-1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine
CID 94026757
(2R)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-[(1R)-1-phenylethyl]propanamide
CID 98775522
1-cyclohexyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine
CID 86992658
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-ethylamino]ethanol
CID 60967614
3-(methoxymethyl)-4,5-dimethyl-1,2,4-triazole
CID 58259870
2-[(2-amino-2-oxoethyl)-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetic acid
CID 107440581
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 171130164
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905487
1-(4,5-dimethyl-1,2,4-triazol-3-yl)butan-2-amine
CID 82413116
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-ethylazetidin-3-amine
CID 66183471

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpropan-2-amine (CID 156857462) is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpropan-2-amine is Cc1nnc(CN(C)C(C)C)n1C.
What is the InChIKey of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpropan-2-amine?
The InChIKey is CVAKMUGEQLWUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-7(2)12(4)6-9-11-10-8(3)13(9)5/h7H,6H2,1-5H3.
What are the key properties of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpropan-2-amine?
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpropan-2-amine has a molecular weight of 182.27 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 156857462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).