2-cyclopropyl-7-methyl-1H-1,3-diazepin-5-amine

C9H13N3 — CID 135162588

IUPAC2-cyclopropyl-7-methyl-1H-1,3-diazepin-5-amine
SMILESCC1=CC(N)=CN=C(C2CC2)N1
InChIInChI=1S/C9H13N3/c1-6-4-8(10)5-11-9(12-6)7-2-3-7/h4-5,7H,2-3,10H2,1H3,(H,11,12)
InChIKeyGIYMYIPGOBSXKQ-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.10
Rot. Bonds1

About 2-cyclopropyl-7-methyl-1H-1,3-diazepin-5-amine

2-cyclopropyl-7-methyl-1H-1,3-diazepin-5-amine (PubChem CID 135162588) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-cyclopropyl-7-methyl-1H-1,3-diazepin-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-7-methyl-1H-1,3-diazepin-5-amine
PubChem CID135162588
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-cyclopropyl-7-methyl-1H-1,3-diazepin-5-amine
SMILESCC1=CC(N)=CN=C(C2CC2)N1
InChIInChI=1S/C9H13N3/c1-6-4-8(10)5-11-9(12-6)7-2-3-7/h4-5,7H,2-3,10H2,1H3,(H,11,12)
InChIKeyGIYMYIPGOBSXKQ-UHFFFAOYSA-N
XLogP1.10
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-methyl-1H-1,3-diazepin-5-amine?
The IUPAC name of 2-cyclopropyl-7-methyl-1H-1,3-diazepin-5-amine (CID 135162588) is 2-cyclopropyl-7-methyl-1H-1,3-diazepin-5-amine.
What is the SMILES notation for 2-cyclopropyl-7-methyl-1H-1,3-diazepin-5-amine?
The canonical SMILES for 2-cyclopropyl-7-methyl-1H-1,3-diazepin-5-amine is CC1=CC(N)=CN=C(C2CC2)N1.
What is the InChIKey of 2-cyclopropyl-7-methyl-1H-1,3-diazepin-5-amine?
The InChIKey is GIYMYIPGOBSXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-6-4-8(10)5-11-9(12-6)7-2-3-7/h4-5,7H,2-3,10H2,1H3,(H,11,12).
What are the key properties of 2-cyclopropyl-7-methyl-1H-1,3-diazepin-5-amine?
2-cyclopropyl-7-methyl-1H-1,3-diazepin-5-amine has a molecular weight of 163.22 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-methyl-1H-1,3-diazepin-5-amine is sourced from PubChem (CID 135162588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).