N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentan-3-amine

C12H24N4 — CID 50959969

IUPACN-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentan-3-amine
SMILESCCC(CC)N(C)Cc1nncn1C(C)C
InChIInChI=1S/C12H24N4/c1-6-11(7-2)15(5)8-12-14-13-9-16(12)10(3)4/h9-11H,6-8H2,1-5H3
InChIKeyRDZXPLLTPUWMLT-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.48
Rot. Bonds6

About N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentan-3-amine

N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentan-3-amine (PubChem CID 50959969) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentan-3-amine
PubChem CID50959969
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentan-3-amine
SMILESCCC(CC)N(C)Cc1nncn1C(C)C
InChIInChI=1S/C12H24N4/c1-6-11(7-2)15(5)8-12-14-13-9-16(12)10(3)4/h9-11H,6-8H2,1-5H3
InChIKeyRDZXPLLTPUWMLT-UHFFFAOYSA-N
XLogP2.48
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentan-3-amine?
The IUPAC name of N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentan-3-amine (CID 50959969) is N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentan-3-amine.
What is the SMILES notation for N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentan-3-amine?
The canonical SMILES for N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentan-3-amine is CCC(CC)N(C)Cc1nncn1C(C)C.
What is the InChIKey of N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentan-3-amine?
The InChIKey is RDZXPLLTPUWMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-6-11(7-2)15(5)8-12-14-13-9-16(12)10(3)4/h9-11H,6-8H2,1-5H3.
What are the key properties of N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentan-3-amine?
N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentan-3-amine has a molecular weight of 224.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentan-3-amine is sourced from PubChem (CID 50959969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).