N-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine

C13H19N5O — CID 99795034

IUPACN-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine
SMILESCOc1cccc(CNc2nc(C(C)C)nn2C)n1
InChIInChI=1S/C13H19N5O/c1-9(2)12-16-13(18(3)17-12)14-8-10-6-5-7-11(15-10)19-4/h5-7,9H,8H2,1-4H3,(H,14,16,17)
InChIKeySKCORNSNLNRHOK-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.95
Rot. Bonds5

About N-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine

N-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine (PubChem CID 99795034) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine
PubChem CID99795034
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine
SMILESCOc1cccc(CNc2nc(C(C)C)nn2C)n1
InChIInChI=1S/C13H19N5O/c1-9(2)12-16-13(18(3)17-12)14-8-10-6-5-7-11(15-10)19-4/h5-7,9H,8H2,1-4H3,(H,14,16,17)
InChIKeySKCORNSNLNRHOK-UHFFFAOYSA-N
XLogP1.95
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine (CID 99795034) is N-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for N-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine is COc1cccc(CNc2nc(C(C)C)nn2C)n1.
What is the InChIKey of N-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine?
The InChIKey is SKCORNSNLNRHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9(2)12-16-13(18(3)17-12)14-8-10-6-5-7-11(15-10)19-4/h5-7,9H,8H2,1-4H3,(H,14,16,17).
What are the key properties of N-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine?
N-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine has a molecular weight of 261.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-5-propan-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 99795034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).