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

C10H20N4 — CID 115600934

IUPAC2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine
SMILESCCCC(C)(C)NCc1nncn1C
InChIInChI=1S/C10H20N4/c1-5-6-10(2,3)11-7-9-13-12-8-14(9)4/h8,11H,5-7H2,1-4H3
InChIKeyRUWXURUYZWAZPC-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.48
Rot. Bonds5

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

2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine (PubChem CID 115600934) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine
PubChem CID115600934
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine
SMILESCCCC(C)(C)NCc1nncn1C
InChIInChI=1S/C10H20N4/c1-5-6-10(2,3)11-7-9-13-12-8-14(9)4/h8,11H,5-7H2,1-4H3
InChIKeyRUWXURUYZWAZPC-UHFFFAOYSA-N
XLogP1.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylbutan-2-amine
CID 115690865
(4-methyl-1,2,4-triazol-3-yl)methylhydrazine
CID 130979305
2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 62117507
2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80821706
4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine
CID 62869757
2,2-dimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-3-oxopropanoic acid
CID 82821195
N',N'-diethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine
CID 62116960
1-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
CID 62133277
(2R)-2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 122630481
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine
CID 79256368
6-N,2,5-trimethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80821784
6-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80821782

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine?
The IUPAC name of 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine (CID 115600934) is 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine.
What is the SMILES notation for 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine?
The canonical SMILES for 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine is CCCC(C)(C)NCc1nncn1C.
What is the InChIKey of 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine?
The InChIKey is RUWXURUYZWAZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-5-6-10(2,3)11-7-9-13-12-8-14(9)4/h8,11H,5-7H2,1-4H3.
What are the key properties of 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine?
2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine has a molecular weight of 196.30 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine is sourced from PubChem (CID 115600934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).