N,N-dimethyl-1-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanamine

C9H18N4 — CID 176992403

IUPACN,N-dimethyl-1-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanamine
SMILESCC(C)c1nnc(CN(C)C)n1C
InChIInChI=1S/C9H18N4/c1-7(2)9-11-10-8(13(9)5)6-12(3)4/h7H,6H2,1-5H3
InChIKeySLNZNTMFVGJWHW-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.00
Rot. Bonds3

About N,N-dimethyl-1-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanamine

N,N-dimethyl-1-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanamine (PubChem CID 176992403) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanamine
PubChem CID176992403
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN,N-dimethyl-1-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanamine
SMILESCC(C)c1nnc(CN(C)C)n1C
InChIInChI=1S/C9H18N4/c1-7(2)9-11-10-8(13(9)5)6-12(3)4/h7H,6H2,1-5H3
InChIKeySLNZNTMFVGJWHW-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanamine (CID 176992403) is N,N-dimethyl-1-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanamine is CC(C)c1nnc(CN(C)C)n1C.
What is the InChIKey of N,N-dimethyl-1-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is SLNZNTMFVGJWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-7(2)9-11-10-8(13(9)5)6-12(3)4/h7H,6H2,1-5H3.
What are the key properties of N,N-dimethyl-1-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
N,N-dimethyl-1-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 182.27 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 176992403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).