3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile

C10H15ClN6 — CID 80810624

IUPAC3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile
SMILESCNc1nc(Cl)nc(N(CCC#N)C(C)C)n1
InChIInChI=1S/C10H15ClN6/c1-7(2)17(6-4-5-12)10-15-8(11)14-9(13-3)16-10/h7H,4,6H2,1-3H3,(H,13,14,15,16)
InChIKeyHQLZWPAWPIRWPK-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.70
Rot. Bonds5

About 3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile

3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile (PubChem CID 80810624) has the molecular formula C10H15ClN6 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile.

Molecular Properties

Compound Name3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile
PubChem CID80810624
Molecular FormulaC10H15ClN6
Molecular Weight254.72 g/mol
Exact Mass254.10
IUPAC Name3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile
SMILESCNc1nc(Cl)nc(N(CCC#N)C(C)C)n1
InChIInChI=1S/C10H15ClN6/c1-7(2)17(6-4-5-12)10-15-8(11)14-9(13-3)16-10/h7H,4,6H2,1-3H3,(H,13,14,15,16)
InChIKeyHQLZWPAWPIRWPK-UHFFFAOYSA-N
XLogP1.70
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-4-N-methyl-2-N-pentyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 80809869
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-(cyanomethyl)amino]acetonitrile
CID 80754360
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
CID 80805912
3-[benzyl-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]propanenitrile
CID 110172874
3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-propan-2-ylamino]propanenitrile
CID 114564612
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-pentan-3-ylamino]ethanol
CID 80810701
6-chloro-2-N-ethyl-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774018
3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propanenitrile
CID 80754392
3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile
CID 80900254
6-chloro-2-N-(2-methoxyethyl)-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 82953220
2-N,2-N-dibutyl-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80754638
4,6-dichloro-N-(2-methoxyethyl)-N-propan-2-yl-1,3,5-triazin-2-amine
CID 82961053

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile?
The IUPAC name of 3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile (CID 80810624) is 3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile.
What is the SMILES notation for 3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile?
The canonical SMILES for 3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile is CNc1nc(Cl)nc(N(CCC#N)C(C)C)n1.
What is the InChIKey of 3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile?
The InChIKey is HQLZWPAWPIRWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN6/c1-7(2)17(6-4-5-12)10-15-8(11)14-9(13-3)16-10/h7H,4,6H2,1-3H3,(H,13,14,15,16).
What are the key properties of 3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile?
3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile has a molecular weight of 254.72 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile is sourced from PubChem (CID 80810624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).