3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]propanenitrile

C10H11ClN6 — CID 102918635

IUPAC3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]propanenitrile
SMILESCCN(CCC#N)c1cc(Cl)nc2ncnn12
InChIInChI=1S/C10H11ClN6/c1-2-16(5-3-4-12)9-6-8(11)15-10-13-7-14-17(9)10/h6-7H,2-3,5H2,1H3
InChIKeyNNGGGKPABMQMQC-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.52
Rot. Bonds4

About 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]propanenitrile

3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]propanenitrile (PubChem CID 102918635) has the molecular formula C10H11ClN6 and a molecular weight of 250.69 g/mol. Its IUPAC name is 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]propanenitrile.

Molecular Properties

Compound Name3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]propanenitrile
PubChem CID102918635
Molecular FormulaC10H11ClN6
Molecular Weight250.69 g/mol
Exact Mass250.07
IUPAC Name3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]propanenitrile
SMILESCCN(CCC#N)c1cc(Cl)nc2ncnn12
InChIInChI=1S/C10H11ClN6/c1-2-16(5-3-4-12)9-6-8(11)15-10-13-7-14-17(9)10/h6-7H,2-3,5H2,1H3
InChIKeyNNGGGKPABMQMQC-UHFFFAOYSA-N
XLogP1.52
TPSA70.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(N-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)anilino)propanenitrile
CID 102918258
5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918512
2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]-N,N-dimethylacetamide
CID 102918554
2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]-N-methylacetamide
CID 102918624
2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(2-methoxyethyl)amino]ethanol
CID 102919142
5-chloro-N-(2-ethoxyethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919027
3-[methyl-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propanenitrile
CID 133370491
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-N-methylpropanamide
CID 106917443
5-chloro-N-cyclobutyl-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919185
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]benzonitrile
CID 102918795
N-butyl-N-(2-chloroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63388873
5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918526

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]propanenitrile?
The IUPAC name of 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]propanenitrile (CID 102918635) is 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]propanenitrile.
What is the SMILES notation for 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]propanenitrile?
The canonical SMILES for 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]propanenitrile is CCN(CCC#N)c1cc(Cl)nc2ncnn12.
What is the InChIKey of 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]propanenitrile?
The InChIKey is NNGGGKPABMQMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN6/c1-2-16(5-3-4-12)9-6-8(11)15-10-13-7-14-17(9)10/h6-7H,2-3,5H2,1H3.
What are the key properties of 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]propanenitrile?
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]propanenitrile has a molecular weight of 250.69 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]propanenitrile is sourced from PubChem (CID 102918635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).