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

C11H24N4 — CID 176992402

IUPACN,N-dimethyl-1-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanamine;ethane
SMILESCC.CC(C)c1nnc(CN(C)C)n1C
InChIInChI=1S/C9H18N4.C2H6/c1-7(2)9-11-10-8(13(9)5)6-12(3)4;1-2/h7H,6H2,1-5H3;1-2H3
InChIKeyUQZAAQHDXYRMQH-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.03
Rot. Bonds3

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

N,N-dimethyl-1-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanamine;ethane (PubChem CID 176992402) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanamine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanamine;ethane
PubChem CID176992402
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC NameN,N-dimethyl-1-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanamine;ethane
SMILESCC.CC(C)c1nnc(CN(C)C)n1C
InChIInChI=1S/C9H18N4.C2H6/c1-7(2)9-11-10-8(13(9)5)6-12(3)4;1-2/h7H,6H2,1-5H3;1-2H3
InChIKeyUQZAAQHDXYRMQH-UHFFFAOYSA-N
XLogP2.03
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.03
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;ethane?
The IUPAC name of N,N-dimethyl-1-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanamine;ethane (CID 176992402) is N,N-dimethyl-1-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanamine;ethane.
What is the SMILES notation for N,N-dimethyl-1-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanamine;ethane?
The canonical SMILES for N,N-dimethyl-1-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanamine;ethane is CC.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;ethane?
The InChIKey is UQZAAQHDXYRMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4.C2H6/c1-7(2)9-11-10-8(13(9)5)6-12(3)4;1-2/h7H,6H2,1-5H3;1-2H3.
What are the key properties of N,N-dimethyl-1-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanamine;ethane?
N,N-dimethyl-1-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanamine;ethane has a molecular weight of 212.34 g/mol, XLogP of 2.03, 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;ethane is sourced from PubChem (CID 176992402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).