N-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-benzotriazin-3-amine

C14H13N5O — CID 103204100

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-benzotriazin-3-amine
SMILESCOc1ncccc1CNc1nnc2ccccc2n1
InChIInChI=1S/C14H13N5O/c1-20-13-10(5-4-8-15-13)9-16-14-17-11-6-2-3-7-12(11)18-19-14/h2-8H,9H2,1H3,(H,16,17,19)
InChIKeyAFRPZKPOVXYNRR-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.04
Rot. Bonds4

About N-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-benzotriazin-3-amine

N-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-benzotriazin-3-amine (PubChem CID 103204100) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-benzotriazin-3-amine
PubChem CID103204100
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-benzotriazin-3-amine
SMILESCOc1ncccc1CNc1nnc2ccccc2n1
InChIInChI=1S/C14H13N5O/c1-20-13-10(5-4-8-15-13)9-16-14-17-11-6-2-3-7-12(11)18-19-14/h2-8H,9H2,1H3,(H,16,17,19)
InChIKeyAFRPZKPOVXYNRR-UHFFFAOYSA-N
XLogP2.04
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-ethylphenyl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204340
2-[(1,2,4-benzotriazin-3-ylamino)methyl]phenol
CID 103204536
N-[2-(2-methoxyphenyl)ethyl]-1,2,4-benzotriazin-3-amine
CID 106261896
N-[(2-methoxy-3-pyridinyl)methyl]-6-methylpyridazin-3-amine
CID 61312329
6-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-2,6-diamine
CID 80647149
1-(2-methoxy-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82724314
4-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine
CID 79399734
1-[(2-methoxy-3-pyridinyl)methylamino]isoquinolin-7-ol
CID 106537672
6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 104696689
3-[(2-methoxy-3-pyridinyl)methylamino]pyridazine-4-carbonitrile
CID 80515426
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]quinolin-4-amine
CID 56707589
2-[(2-methoxy-3-pyridinyl)methylamino]-N-methylbenzenesulfonamide
CID 60859341

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-benzotriazin-3-amine (CID 103204100) is N-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-benzotriazin-3-amine is COc1ncccc1CNc1nnc2ccccc2n1.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-benzotriazin-3-amine?
The InChIKey is AFRPZKPOVXYNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-20-13-10(5-4-8-15-13)9-16-14-17-11-6-2-3-7-12(11)18-19-14/h2-8H,9H2,1H3,(H,16,17,19).
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-benzotriazin-3-amine?
N-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-benzotriazin-3-amine has a molecular weight of 267.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 103204100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).