N-methyl-1-(5-methyl-1-propan-2-yltriazol-4-yl)methanamine

C8H16N4 — CID 84765459

IUPACN-methyl-1-(5-methyl-1-propan-2-yltriazol-4-yl)methanamine
SMILESCNCc1nnn(C(C)C)c1C
InChIInChI=1S/C8H16N4/c1-6(2)12-7(3)8(5-9-4)10-11-12/h6,9H,5H2,1-4H3
InChIKeyRKTZVNREFNFWMD-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.89
Rot. Bonds3

About N-methyl-1-(5-methyl-1-propan-2-yltriazol-4-yl)methanamine

N-methyl-1-(5-methyl-1-propan-2-yltriazol-4-yl)methanamine (PubChem CID 84765459) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-1-propan-2-yltriazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-1-propan-2-yltriazol-4-yl)methanamine
PubChem CID84765459
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN-methyl-1-(5-methyl-1-propan-2-yltriazol-4-yl)methanamine
SMILESCNCc1nnn(C(C)C)c1C
InChIInChI=1S/C8H16N4/c1-6(2)12-7(3)8(5-9-4)10-11-12/h6,9H,5H2,1-4H3
InChIKeyRKTZVNREFNFWMD-UHFFFAOYSA-N
XLogP0.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-1-propan-2-yltriazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(5-methyl-1-propan-2-yltriazol-4-yl)methanamine (CID 84765459) is N-methyl-1-(5-methyl-1-propan-2-yltriazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methyl-1-propan-2-yltriazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-methyl-1-propan-2-yltriazol-4-yl)methanamine is CNCc1nnn(C(C)C)c1C.
What is the InChIKey of N-methyl-1-(5-methyl-1-propan-2-yltriazol-4-yl)methanamine?
The InChIKey is RKTZVNREFNFWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-6(2)12-7(3)8(5-9-4)10-11-12/h6,9H,5H2,1-4H3.
What are the key properties of N-methyl-1-(5-methyl-1-propan-2-yltriazol-4-yl)methanamine?
N-methyl-1-(5-methyl-1-propan-2-yltriazol-4-yl)methanamine has a molecular weight of 168.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-1-propan-2-yltriazol-4-yl)methanamine is sourced from PubChem (CID 84765459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).