5-methylazepine-3,4,5-triamine

C7H12N4 — CID 166909681

IUPAC5-methylazepine-3,4,5-triamine
SMILESCC1(N)C=CN=CC(N)=C1N
InChIInChI=1S/C7H12N4/c1-7(10)2-3-11-4-5(8)6(7)9/h2-4H,8-10H2,1H3
InChIKeyBCJFVHLZICMTPF-UHFFFAOYSA-N
MW152.20 g/mol
LogP-0.57
Rot. Bonds

About 5-methylazepine-3,4,5-triamine

5-methylazepine-3,4,5-triamine (PubChem CID 166909681) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-methylazepine-3,4,5-triamine.

Molecular Properties

Compound Name5-methylazepine-3,4,5-triamine
PubChem CID166909681
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name5-methylazepine-3,4,5-triamine
SMILESCC1(N)C=CN=CC(N)=C1N
InChIInChI=1S/C7H12N4/c1-7(10)2-3-11-4-5(8)6(7)9/h2-4H,8-10H2,1H3
InChIKeyBCJFVHLZICMTPF-UHFFFAOYSA-N
XLogP-0.57
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methylazepine-3,4,5-triamine?
The IUPAC name of 5-methylazepine-3,4,5-triamine (CID 166909681) is 5-methylazepine-3,4,5-triamine.
What is the SMILES notation for 5-methylazepine-3,4,5-triamine?
The canonical SMILES for 5-methylazepine-3,4,5-triamine is CC1(N)C=CN=CC(N)=C1N.
What is the InChIKey of 5-methylazepine-3,4,5-triamine?
The InChIKey is BCJFVHLZICMTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-7(10)2-3-11-4-5(8)6(7)9/h2-4H,8-10H2,1H3.
What are the key properties of 5-methylazepine-3,4,5-triamine?
5-methylazepine-3,4,5-triamine has a molecular weight of 152.20 g/mol, XLogP of -0.57, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylazepine-3,4,5-triamine is sourced from PubChem (CID 166909681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).