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

C13H19N5 — CID 55059314

IUPACN-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]methyl]propan-2-amine
SMILESCc1nc(C)n(-c2ccnc(CNC(C)C)c2)n1
InChIInChI=1S/C13H19N5/c1-9(2)15-8-12-7-13(5-6-14-12)18-11(4)16-10(3)17-18/h5-7,9,15H,8H2,1-4H3
InChIKeyWOTXNNGJTXSBLJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.78
Rot. Bonds4

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

N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 55059314) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]methyl]propan-2-amine
PubChem CID55059314
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]methyl]propan-2-amine
SMILESCc1nc(C)n(-c2ccnc(CNC(C)C)c2)n1
InChIInChI=1S/C13H19N5/c1-9(2)15-8-12-7-13(5-6-14-12)18-11(4)16-10(3)17-18/h5-7,9,15H,8H2,1-4H3
InChIKeyWOTXNNGJTXSBLJ-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]methyl]propan-2-amine (CID 55059314) is N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]methyl]propan-2-amine is Cc1nc(C)n(-c2ccnc(CNC(C)C)c2)n1.
What is the InChIKey of N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is WOTXNNGJTXSBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-9(2)15-8-12-7-13(5-6-14-12)18-11(4)16-10(3)17-18/h5-7,9,15H,8H2,1-4H3.
What are the key properties of N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]methyl]propan-2-amine?
N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 55059314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).