2H-pyrido[2,3-e][1,4]diazepin-2-amine

C8H8N4 — CID 91539100

IUPAC2H-pyrido[2,3-e][1,4]diazepin-2-amine
SMILESNC1C=NC=c2cccnc2=N1
InChIInChI=1S/C8H8N4/c9-7-5-10-4-6-2-1-3-11-8(6)12-7/h1-5,7H,9H2
InChIKeyVMBGXEXCTCTSOP-UHFFFAOYSA-N
MW160.18 g/mol
LogP-1.19
Rot. Bonds

About 2H-pyrido[2,3-e][1,4]diazepin-2-amine

2H-pyrido[2,3-e][1,4]diazepin-2-amine (PubChem CID 91539100) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 2H-pyrido[2,3-e][1,4]diazepin-2-amine.

Molecular Properties

Compound Name2H-pyrido[2,3-e][1,4]diazepin-2-amine
PubChem CID91539100
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name2H-pyrido[2,3-e][1,4]diazepin-2-amine
SMILESNC1C=NC=c2cccnc2=N1
InChIInChI=1S/C8H8N4/c9-7-5-10-4-6-2-1-3-11-8(6)12-7/h1-5,7H,9H2
InChIKeyVMBGXEXCTCTSOP-UHFFFAOYSA-N
XLogP-1.19
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 70067391
(Z,2E)-N'-methyl-2-[(methylideneamino)methylidene]pent-3-enimidamide
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2,5,11-Triazabicyclo[5.4.0]undeca-1,3,4,6,8,10-hexaene
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6-Methylpyrido[2,3-b]azepin-6-amine
CID 143260188
ethane;6H-pyrido[2,3-b]azepine
CID 143294948
6H-pyrido[2,3-b]azepine
CID 143294949
N-(3-methylidene-2-pyridinylidene)methanimidamide;propane
CID 144881574
3-methylidene-N-[(Z)-prop-1-enyl]pyridin-2-imine
CID 146418825
(3Z)-3-ethylidene-N-[(Z)-prop-1-enyl]pyridin-2-imine
CID 146559726
6H-pyrimido[5,4-c]azepin-2-amine
CID 150956746
6-methyl-6H-pyrido[2,3-b]azepine
CID 153611295

Frequently Asked Questions

What is the IUPAC name of 2H-pyrido[2,3-e][1,4]diazepin-2-amine?
The IUPAC name of 2H-pyrido[2,3-e][1,4]diazepin-2-amine (CID 91539100) is 2H-pyrido[2,3-e][1,4]diazepin-2-amine.
What is the SMILES notation for 2H-pyrido[2,3-e][1,4]diazepin-2-amine?
The canonical SMILES for 2H-pyrido[2,3-e][1,4]diazepin-2-amine is NC1C=NC=c2cccnc2=N1.
What is the InChIKey of 2H-pyrido[2,3-e][1,4]diazepin-2-amine?
The InChIKey is VMBGXEXCTCTSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c9-7-5-10-4-6-2-1-3-11-8(6)12-7/h1-5,7H,9H2.
What are the key properties of 2H-pyrido[2,3-e][1,4]diazepin-2-amine?
2H-pyrido[2,3-e][1,4]diazepin-2-amine has a molecular weight of 160.18 g/mol, XLogP of -1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrido[2,3-e][1,4]diazepin-2-amine is sourced from PubChem (CID 91539100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).