2-N-pent-1-yn-3-ylpyridine-2,4-diamine

C10H13N3 — CID 106233105

IUPAC2-N-pent-1-yn-3-ylpyridine-2,4-diamine
SMILESC#CC(CC)Nc1cc(N)ccn1
InChIInChI=1S/C10H13N3/c1-3-9(4-2)13-10-7-8(11)5-6-12-10/h1,5-7,9H,4H2,2H3,(H3,11,12,13)
InChIKeyWVPUHGRIASOXHU-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.49
Rot. Bonds3

About 2-N-pent-1-yn-3-ylpyridine-2,4-diamine

2-N-pent-1-yn-3-ylpyridine-2,4-diamine (PubChem CID 106233105) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 2-N-pent-1-yn-3-ylpyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-pent-1-yn-3-ylpyridine-2,4-diamine
PubChem CID106233105
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name2-N-pent-1-yn-3-ylpyridine-2,4-diamine
SMILESC#CC(CC)Nc1cc(N)ccn1
InChIInChI=1S/C10H13N3/c1-3-9(4-2)13-10-7-8(11)5-6-12-10/h1,5-7,9H,4H2,2H3,(H3,11,12,13)
InChIKeyWVPUHGRIASOXHU-UHFFFAOYSA-N
XLogP1.49
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-N,2-N-dimethyl-4-N-pent-1-yn-3-ylpyrimidine-2,4-diamine
CID 106231260
2-chloro-N-pent-1-yn-3-ylpyridin-4-amine
CID 106232773
2-N-(1-cyclohexylpropyl)pyridine-2,4-diamine
CID 55069644
N-pent-1-yn-3-yl-6-propylpyrimidin-4-amine
CID 106231185
2-N-octan-4-ylpyridine-2,4-diamine
CID 106022683
2-[(4-amino-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79248276
4-(pent-1-yn-3-ylamino)pyridine-2-carbonitrile
CID 106230805
2-[(4-amino-2-pyridinyl)amino]-N,N-diethylpropanamide
CID 113408299
5-methyl-4-nitro-N-pent-1-yn-3-ylpyridin-2-amine
CID 106231283
4-fluoro-N-pentan-3-ylpyridin-2-amine
CID 131084309
6-bromo-2-N-pent-1-yn-3-ylpyrimidine-2,4-diamine
CID 106233091
5-bromo-N-pent-1-yn-3-ylpyrimidin-2-amine
CID 103578187

Frequently Asked Questions

What is the IUPAC name of 2-N-pent-1-yn-3-ylpyridine-2,4-diamine?
The IUPAC name of 2-N-pent-1-yn-3-ylpyridine-2,4-diamine (CID 106233105) is 2-N-pent-1-yn-3-ylpyridine-2,4-diamine.
What is the SMILES notation for 2-N-pent-1-yn-3-ylpyridine-2,4-diamine?
The canonical SMILES for 2-N-pent-1-yn-3-ylpyridine-2,4-diamine is C#CC(CC)Nc1cc(N)ccn1.
What is the InChIKey of 2-N-pent-1-yn-3-ylpyridine-2,4-diamine?
The InChIKey is WVPUHGRIASOXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-3-9(4-2)13-10-7-8(11)5-6-12-10/h1,5-7,9H,4H2,2H3,(H3,11,12,13).
What are the key properties of 2-N-pent-1-yn-3-ylpyridine-2,4-diamine?
2-N-pent-1-yn-3-ylpyridine-2,4-diamine has a molecular weight of 175.24 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-pent-1-yn-3-ylpyridine-2,4-diamine is sourced from PubChem (CID 106233105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).