4-methyl-4,5-dihydro-1H-1,3-diazepine-5,6,7-triamine

C6H13N5 — CID 143364724

IUPAC4-methyl-4,5-dihydro-1H-1,3-diazepine-5,6,7-triamine
SMILESCC1N=CNC(N)=C(N)C1N
InChIInChI=1S/C6H13N5/c1-3-4(7)5(8)6(9)11-2-10-3/h2-4H,7-9H2,1H3,(H,10,11)
InChIKeyHMAHJVFJVRFFHA-UHFFFAOYSA-N
MW155.20 g/mol
LogP-1.58
Rot. Bonds

About 4-methyl-4,5-dihydro-1H-1,3-diazepine-5,6,7-triamine

4-methyl-4,5-dihydro-1H-1,3-diazepine-5,6,7-triamine (PubChem CID 143364724) has the molecular formula C6H13N5 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-methyl-4,5-dihydro-1H-1,3-diazepine-5,6,7-triamine.

Molecular Properties

Compound Name4-methyl-4,5-dihydro-1H-1,3-diazepine-5,6,7-triamine
PubChem CID143364724
Molecular FormulaC6H13N5
Molecular Weight155.20 g/mol
Exact Mass155.12
IUPAC Name4-methyl-4,5-dihydro-1H-1,3-diazepine-5,6,7-triamine
SMILESCC1N=CNC(N)=C(N)C1N
InChIInChI=1S/C6H13N5/c1-3-4(7)5(8)6(9)11-2-10-3/h2-4H,7-9H2,1H3,(H,10,11)
InChIKeyHMAHJVFJVRFFHA-UHFFFAOYSA-N
XLogP-1.58
TPSA102.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(5-Amino-4-ethyl-1,4-dihydropyrimidin-6-yl)-methylazanium
CID 163453184
6-N-ethyl-4-methyl-1,4-dihydropyrimidine-5,6-diamine
CID 166763489
4-ethyl-6-N-methyl-1,4-dihydropyrimidine-5,6-diamine
CID 163453185

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4,5-dihydro-1H-1,3-diazepine-5,6,7-triamine?
The IUPAC name of 4-methyl-4,5-dihydro-1H-1,3-diazepine-5,6,7-triamine (CID 143364724) is 4-methyl-4,5-dihydro-1H-1,3-diazepine-5,6,7-triamine.
What is the SMILES notation for 4-methyl-4,5-dihydro-1H-1,3-diazepine-5,6,7-triamine?
The canonical SMILES for 4-methyl-4,5-dihydro-1H-1,3-diazepine-5,6,7-triamine is CC1N=CNC(N)=C(N)C1N.
What is the InChIKey of 4-methyl-4,5-dihydro-1H-1,3-diazepine-5,6,7-triamine?
The InChIKey is HMAHJVFJVRFFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5/c1-3-4(7)5(8)6(9)11-2-10-3/h2-4H,7-9H2,1H3,(H,10,11).
What are the key properties of 4-methyl-4,5-dihydro-1H-1,3-diazepine-5,6,7-triamine?
4-methyl-4,5-dihydro-1H-1,3-diazepine-5,6,7-triamine has a molecular weight of 155.20 g/mol, XLogP of -1.58, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4,5-dihydro-1H-1,3-diazepine-5,6,7-triamine is sourced from PubChem (CID 143364724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).