N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylpyrazin-2-amine

C10H14ClN3 — CID 83062656

IUPACN-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylpyrazin-2-amine
SMILESCc1nccnc1NCC1(CCl)CC1
InChIInChI=1S/C10H14ClN3/c1-8-9(13-5-4-12-8)14-7-10(6-11)2-3-10/h4-5H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyISFHGAZPHKFLPP-UHFFFAOYSA-N
MW211.70 g/mol
LogP2.22
Rot. Bonds4

About N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylpyrazin-2-amine

N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylpyrazin-2-amine (PubChem CID 83062656) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylpyrazin-2-amine
PubChem CID83062656
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC NameN-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylpyrazin-2-amine
SMILESCc1nccnc1NCC1(CCl)CC1
InChIInChI=1S/C10H14ClN3/c1-8-9(13-5-4-12-8)14-7-10(6-11)2-3-10/h4-5H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyISFHGAZPHKFLPP-UHFFFAOYSA-N
XLogP2.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 114600015
N-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluoropyridin-2-amine
CID 115455727
N-[[1-(chloromethyl)cyclopropyl]methyl]pyrimidin-2-amine
CID 115455827
N-[[1-(chloromethyl)cyclopropyl]methyl]-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106543011
N-[[1-(aminomethyl)cyclopropyl]methyl]-3,6-dimethylpyrazin-2-amine
CID 115457058
2-[1-[[(3-chloropyrazin-2-yl)amino]methyl]cyclopropyl]ethanol
CID 114757217
N-[[1-(chloromethyl)cyclopentyl]methyl]thieno[3,2-c]pyridin-4-amine
CID 113294681
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpyrimidin-4-amine
CID 103969271
N-[[1-(chloromethyl)cyclohexyl]methyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 103969275
N-[[1-(chloromethyl)cyclopropyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 115455734
N-(5-chloro-2,2-dimethylpentyl)-3-methylpyrazin-2-amine
CID 106142257
N-[[1-(chloromethyl)cyclopropyl]methyl]-5-fluoropyridin-2-amine
CID 115455809

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylpyrazin-2-amine?
The IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylpyrazin-2-amine (CID 83062656) is N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylpyrazin-2-amine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylpyrazin-2-amine?
The canonical SMILES for N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylpyrazin-2-amine is Cc1nccnc1NCC1(CCl)CC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylpyrazin-2-amine?
The InChIKey is ISFHGAZPHKFLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-8-9(13-5-4-12-8)14-7-10(6-11)2-3-10/h4-5H,2-3,6-7H2,1H3,(H,13,14).
What are the key properties of N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylpyrazin-2-amine?
N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylpyrazin-2-amine has a molecular weight of 211.70 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylpyrazin-2-amine is sourced from PubChem (CID 83062656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).