N-(3-butoxypropyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C12H18ClN5O — CID 102919154

IUPACN-(3-butoxypropyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCOCCCNc1cc(Cl)nc2ncnn12
InChIInChI=1S/C12H18ClN5O/c1-2-3-6-19-7-4-5-14-11-8-10(13)17-12-15-9-16-18(11)12/h8-9,14H,2-7H2,1H3
InChIKeyKPCKTAMUMKEBIZ-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.40
Rot. Bonds8

About N-(3-butoxypropyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(3-butoxypropyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 102919154) has the molecular formula C12H18ClN5O and a molecular weight of 283.76 g/mol. Its IUPAC name is N-(3-butoxypropyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-butoxypropyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID102919154
Molecular FormulaC12H18ClN5O
Molecular Weight283.76 g/mol
Exact Mass283.12
IUPAC NameN-(3-butoxypropyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCOCCCNc1cc(Cl)nc2ncnn12
InChIInChI=1S/C12H18ClN5O/c1-2-3-6-19-7-4-5-14-11-8-10(13)17-12-15-9-16-18(11)12/h8-9,14H,2-7H2,1H3
InChIKeyKPCKTAMUMKEBIZ-UHFFFAOYSA-N
XLogP2.40
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-(3-propoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 82944187
5-chloro-N-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918665
5-chloro-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918666
5-chloro-N-(2-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918495
5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918505
ethyl 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
CID 102918711
1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-methoxypropan-2-ol
CID 102918881
5-chloro-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918380
5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106194823
N-(3-butoxypropyl)-6-chloro-2-methylpyrimidin-4-amine
CID 115605791
5-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 114186751
5-methyl-N-(3-phenylmethoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18095972

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-butoxypropyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 102919154) is N-(3-butoxypropyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-butoxypropyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-butoxypropyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCCOCCCNc1cc(Cl)nc2ncnn12.
What is the InChIKey of N-(3-butoxypropyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KPCKTAMUMKEBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O/c1-2-3-6-19-7-4-5-14-11-8-10(13)17-12-15-9-16-18(11)12/h8-9,14H,2-7H2,1H3.
What are the key properties of N-(3-butoxypropyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(3-butoxypropyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 283.76 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 102919154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).