N-[4-amino-6-(cyclopropylamino)-1,3,5-triazin-2-yl]propanamide;hydrochloride

C9H15ClN6O — CID 21243164

IUPACN-[4-amino-6-(cyclopropylamino)-1,3,5-triazin-2-yl]propanamide;hydrochloride
SMILESCCC(=O)Nc1nc(N)nc(NC2CC2)n1.Cl
InChIInChI=1S/C9H14N6O.ClH/c1-2-6(16)12-9-14-7(10)13-8(15-9)11-5-3-4-5;/h5H,2-4H2,1H3,(H4,10,11,12,13,14,15,16);1H
InChIKeyVVTVAMSGSCMXRA-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.80
Rot. Bonds4

About N-[4-amino-6-(cyclopropylamino)-1,3,5-triazin-2-yl]propanamide;hydrochloride

N-[4-amino-6-(cyclopropylamino)-1,3,5-triazin-2-yl]propanamide;hydrochloride (PubChem CID 21243164) has the molecular formula C9H15ClN6O and a molecular weight of 258.71 g/mol. Its IUPAC name is N-[4-amino-6-(cyclopropylamino)-1,3,5-triazin-2-yl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-amino-6-(cyclopropylamino)-1,3,5-triazin-2-yl]propanamide;hydrochloride
PubChem CID21243164
Molecular FormulaC9H15ClN6O
Molecular Weight258.71 g/mol
Exact Mass258.10
IUPAC NameN-[4-amino-6-(cyclopropylamino)-1,3,5-triazin-2-yl]propanamide;hydrochloride
SMILESCCC(=O)Nc1nc(N)nc(NC2CC2)n1.Cl
InChIInChI=1S/C9H14N6O.ClH/c1-2-6(16)12-9-14-7(10)13-8(15-9)11-5-3-4-5;/h5H,2-4H2,1H3,(H4,10,11,12,13,14,15,16);1H
InChIKeyVVTVAMSGSCMXRA-UHFFFAOYSA-N
XLogP0.80
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-6-(cyclopropylamino)-1,3,5-triazin-2-yl]propanamide;hydrochloride?
The IUPAC name of N-[4-amino-6-(cyclopropylamino)-1,3,5-triazin-2-yl]propanamide;hydrochloride (CID 21243164) is N-[4-amino-6-(cyclopropylamino)-1,3,5-triazin-2-yl]propanamide;hydrochloride.
What is the SMILES notation for N-[4-amino-6-(cyclopropylamino)-1,3,5-triazin-2-yl]propanamide;hydrochloride?
The canonical SMILES for N-[4-amino-6-(cyclopropylamino)-1,3,5-triazin-2-yl]propanamide;hydrochloride is CCC(=O)Nc1nc(N)nc(NC2CC2)n1.Cl.
What is the InChIKey of N-[4-amino-6-(cyclopropylamino)-1,3,5-triazin-2-yl]propanamide;hydrochloride?
The InChIKey is VVTVAMSGSCMXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O.ClH/c1-2-6(16)12-9-14-7(10)13-8(15-9)11-5-3-4-5;/h5H,2-4H2,1H3,(H4,10,11,12,13,14,15,16);1H.
What are the key properties of N-[4-amino-6-(cyclopropylamino)-1,3,5-triazin-2-yl]propanamide;hydrochloride?
N-[4-amino-6-(cyclopropylamino)-1,3,5-triazin-2-yl]propanamide;hydrochloride has a molecular weight of 258.71 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-6-(cyclopropylamino)-1,3,5-triazin-2-yl]propanamide;hydrochloride is sourced from PubChem (CID 21243164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).