1,4-dihydropyridine-3,5-diamine

C5H9N3 — CID 56972715

IUPAC1,4-dihydropyridine-3,5-diamine
SMILESNC1=CNC=C(N)C1
InChIInChI=1S/C5H9N3/c6-4-1-5(7)3-8-2-4/h2-3,8H,1,6-7H2
InChIKeyMEQAPDKSMRZVMO-UHFFFAOYSA-N
MW111.15 g/mol
LogP-0.42
Rot. Bonds

About 1,4-dihydropyridine-3,5-diamine

1,4-dihydropyridine-3,5-diamine (PubChem CID 56972715) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 1,4-dihydropyridine-3,5-diamine.

Molecular Properties

Compound Name1,4-dihydropyridine-3,5-diamine
PubChem CID56972715
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name1,4-dihydropyridine-3,5-diamine
SMILESNC1=CNC=C(N)C1
InChIInChI=1S/C5H9N3/c6-4-1-5(7)3-8-2-4/h2-3,8H,1,6-7H2
InChIKeyMEQAPDKSMRZVMO-UHFFFAOYSA-N
XLogP-0.42
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,4-Triaminobuten
CID 129641667
3-Amino-1,4-dihydropyridine
CID 129824886
2,5-Dimethyl-1,4-dihydropyrazine
CID 15413126
(Z)-1-N,2-N-dimethylprop-1-ene-1,2-diamine
CID 18986487
(Z)-1-N-methylprop-1-ene-1,2-diamine
CID 18986488
2,3-dihydro-1H-pyrrol-4-amine
CID 19101435
(Z)-2-N-methylprop-1-ene-1,2-diamine
CID 21621540
2,6-Dimethyl-1,4-dihydropyrazine
CID 22059416
2-Methyl-1,4-dihydropyrazine
CID 22059562
N,N-dimethyl-2,3-dihydro-1H-pyrrol-4-amine
CID 22598257
(Z)-1-N,2-N,4-N-trimethylbut-1-ene-1,2,4-triamine
CID 59950669
1-N,2-N-dimethylprop-1-ene-1,2-diamine
CID 72434273

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydropyridine-3,5-diamine?
The IUPAC name of 1,4-dihydropyridine-3,5-diamine (CID 56972715) is 1,4-dihydropyridine-3,5-diamine.
What is the SMILES notation for 1,4-dihydropyridine-3,5-diamine?
The canonical SMILES for 1,4-dihydropyridine-3,5-diamine is NC1=CNC=C(N)C1.
What is the InChIKey of 1,4-dihydropyridine-3,5-diamine?
The InChIKey is MEQAPDKSMRZVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c6-4-1-5(7)3-8-2-4/h2-3,8H,1,6-7H2.
What are the key properties of 1,4-dihydropyridine-3,5-diamine?
1,4-dihydropyridine-3,5-diamine has a molecular weight of 111.15 g/mol, XLogP of -0.42, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropyridine-3,5-diamine is sourced from PubChem (CID 56972715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).