5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine

C12H18ClN3 — CID 107373395

IUPAC5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine
SMILESCCCN(CC1CC1)c1cnc(CCl)cn1
InChIInChI=1S/C12H18ClN3/c1-2-5-16(9-10-3-4-10)12-8-14-11(6-13)7-15-12/h7-8,10H,2-6,9H2,1H3
InChIKeyWAPUQVJCBOLLJU-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.84
Rot. Bonds6

About 5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine

5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine (PubChem CID 107373395) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine
PubChem CID107373395
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine
SMILESCCCN(CC1CC1)c1cnc(CCl)cn1
InChIInChI=1S/C12H18ClN3/c1-2-5-16(9-10-3-4-10)12-8-14-11(6-13)7-15-12/h7-8,10H,2-6,9H2,1H3
InChIKeyWAPUQVJCBOLLJU-UHFFFAOYSA-N
XLogP2.84
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-[cyclopropylmethyl(propyl)amino]pyrazin-2-yl]methanol
CID 107372763
5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine
CID 61445168
4-(chloromethyl)-N-(cyclopropylmethyl)-N,6-dipropylpyridin-2-amine
CID 113380688
5-(chloromethyl)-N-(cyclobutylmethyl)-N-methylpyrazin-2-amine
CID 107373461
6-chloro-N-(cyclopropylmethyl)-N-propylpyridin-2-amine
CID 63587069
5-(chloromethyl)-N-propan-2-yl-N-propylpyrazin-2-amine
CID 107373326
5-chloro-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylpyridin-2-amine
CID 114925867
5-bromo-3-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine
CID 62001137
6-chloro-4-N-(cyclopropylmethyl)-4-N-propylpyrimidine-2,4-diamine
CID 80735508
2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,5-diamine
CID 61146606
6-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine
CID 66457459
N-(cyclopropylmethyl)-5-(propylaminomethyl)-N-prop-2-ynylpyrazin-2-amine
CID 107380630

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine?
The IUPAC name of 5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine (CID 107373395) is 5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine is CCCN(CC1CC1)c1cnc(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine?
The InChIKey is WAPUQVJCBOLLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-2-5-16(9-10-3-4-10)12-8-14-11(6-13)7-15-12/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine?
5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine has a molecular weight of 239.75 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine is sourced from PubChem (CID 107373395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).