2-N,6-N-bis(benzotriazol-1-ylmethyl)pyridine-2,6-diamine

C19H17N9 — CID 1240078

IUPAC2-N,6-N-bis(benzotriazol-1-ylmethyl)pyridine-2,6-diamine
SMILESc1cc(NCn2nnc3ccccc32)nc(NCn2nnc3ccccc32)c1
InChIInChI=1S/C19H17N9/c1-3-8-16-14(6-1)23-25-27(16)12-20-18-10-5-11-19(22-18)21-13-28-17-9-4-2-7-15(17)24-26-28/h1-11H,12-13H2,(H2,20,21,22)
InChIKeyHARFREWNQIJFSN-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.71
Rot. Bonds6

About 2-N,6-N-bis(benzotriazol-1-ylmethyl)pyridine-2,6-diamine

2-N,6-N-bis(benzotriazol-1-ylmethyl)pyridine-2,6-diamine (PubChem CID 1240078) has the molecular formula C19H17N9 and a molecular weight of 371.41 g/mol. Its IUPAC name is 2-N,6-N-bis(benzotriazol-1-ylmethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-bis(benzotriazol-1-ylmethyl)pyridine-2,6-diamine
PubChem CID1240078
Molecular FormulaC19H17N9
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name2-N,6-N-bis(benzotriazol-1-ylmethyl)pyridine-2,6-diamine
SMILESc1cc(NCn2nnc3ccccc32)nc(NCn2nnc3ccccc32)c1
InChIInChI=1S/C19H17N9/c1-3-8-16-14(6-1)23-25-27(16)12-20-18-10-5-11-19(22-18)21-13-28-17-9-4-2-7-15(17)24-26-28/h1-11H,12-13H2,(H2,20,21,22)
InChIKeyHARFREWNQIJFSN-UHFFFAOYSA-N
XLogP2.71
TPSA98.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(benzotriazol-1-ylmethyl)pyrimidin-2-amine
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CID 130251887
N-(benzotriazol-1-ylmethyl)undecan-1-amine
CID 87833525
N-(benzotriazol-1-ylmethyl)-2-methoxyaniline
CID 708613
N-(benzotriazol-1-ylmethyl)-2,5-dichloroaniline
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CID 3740271
N-(benzotriazol-1-ylmethyl)-1,3-benzoxazol-4-amine
CID 3365598
N-(benzotriazol-1-ylmethyl)-4-(pyridin-4-ylmethyl)aniline
CID 21233477
N-(benzotriazol-1-ylmethyl)propanamide
CID 3767707
4-(benzotriazol-1-ylmethylamino)-1,2,5-oxadiazole-3-carbonitrile
CID 776321
N-(benzotriazol-1-ylmethyl)-4-methylpiperazin-1-amine
CID 170856759

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(benzotriazol-1-ylmethyl)pyridine-2,6-diamine?
The IUPAC name of 2-N,6-N-bis(benzotriazol-1-ylmethyl)pyridine-2,6-diamine (CID 1240078) is 2-N,6-N-bis(benzotriazol-1-ylmethyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N,6-N-bis(benzotriazol-1-ylmethyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N,6-N-bis(benzotriazol-1-ylmethyl)pyridine-2,6-diamine is c1cc(NCn2nnc3ccccc32)nc(NCn2nnc3ccccc32)c1.
What is the InChIKey of 2-N,6-N-bis(benzotriazol-1-ylmethyl)pyridine-2,6-diamine?
The InChIKey is HARFREWNQIJFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N9/c1-3-8-16-14(6-1)23-25-27(16)12-20-18-10-5-11-19(22-18)21-13-28-17-9-4-2-7-15(17)24-26-28/h1-11H,12-13H2,(H2,20,21,22).
What are the key properties of 2-N,6-N-bis(benzotriazol-1-ylmethyl)pyridine-2,6-diamine?
2-N,6-N-bis(benzotriazol-1-ylmethyl)pyridine-2,6-diamine has a molecular weight of 371.41 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(benzotriazol-1-ylmethyl)pyridine-2,6-diamine is sourced from PubChem (CID 1240078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).