2-methyl-N-[(2-methyl-3-pyridinyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-amine

C13H19N5 — CID 75523968

IUPAC2-methyl-N-[(2-methyl-3-pyridinyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-amine
SMILESCc1ncccc1CNc1nc(C(C)C)nn1C
InChIInChI=1S/C13H19N5/c1-9(2)12-16-13(18(4)17-12)15-8-11-6-5-7-14-10(11)3/h5-7,9H,8H2,1-4H3,(H,15,16,17)
InChIKeyDUNTYTHJJDSXSO-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.25
Rot. Bonds4

About 2-methyl-N-[(2-methyl-3-pyridinyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-amine

2-methyl-N-[(2-methyl-3-pyridinyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-amine (PubChem CID 75523968) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyl-3-pyridinyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methyl-3-pyridinyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-amine
PubChem CID75523968
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-methyl-N-[(2-methyl-3-pyridinyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-amine
SMILESCc1ncccc1CNc1nc(C(C)C)nn1C
InChIInChI=1S/C13H19N5/c1-9(2)12-16-13(18(4)17-12)15-8-11-6-5-7-14-10(11)3/h5-7,9H,8H2,1-4H3,(H,15,16,17)
InChIKeyDUNTYTHJJDSXSO-UHFFFAOYSA-N
XLogP2.25
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyl-3-pyridinyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of 2-methyl-N-[(2-methyl-3-pyridinyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-amine (CID 75523968) is 2-methyl-N-[(2-methyl-3-pyridinyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-methyl-N-[(2-methyl-3-pyridinyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-methyl-N-[(2-methyl-3-pyridinyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-amine is Cc1ncccc1CNc1nc(C(C)C)nn1C.
What is the InChIKey of 2-methyl-N-[(2-methyl-3-pyridinyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-amine?
The InChIKey is DUNTYTHJJDSXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-9(2)12-16-13(18(4)17-12)15-8-11-6-5-7-14-10(11)3/h5-7,9H,8H2,1-4H3,(H,15,16,17).
What are the key properties of 2-methyl-N-[(2-methyl-3-pyridinyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-amine?
2-methyl-N-[(2-methyl-3-pyridinyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-amine has a molecular weight of 245.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyl-3-pyridinyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 75523968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).