N-[[1-(aminomethyl)cyclobutyl]methyl]-3-bromopyrazolo[1,5-a]pyrazin-4-amine

C12H16BrN5 — CID 167890633

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-3-bromopyrazolo[1,5-a]pyrazin-4-amine
SMILESNCC1(CNc2nccn3ncc(Br)c23)CCC1
InChIInChI=1S/C12H16BrN5/c13-9-6-17-18-5-4-15-11(10(9)18)16-8-12(7-14)2-1-3-12/h4-6H,1-3,7-8,14H2,(H,15,16)
InChIKeyAVESTZADPCJJLK-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.03
Rot. Bonds4

About N-[[1-(aminomethyl)cyclobutyl]methyl]-3-bromopyrazolo[1,5-a]pyrazin-4-amine

N-[[1-(aminomethyl)cyclobutyl]methyl]-3-bromopyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 167890633) has the molecular formula C12H16BrN5 and a molecular weight of 310.20 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-3-bromopyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-3-bromopyrazolo[1,5-a]pyrazin-4-amine
PubChem CID167890633
Molecular FormulaC12H16BrN5
Molecular Weight310.20 g/mol
Exact Mass309.06
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-3-bromopyrazolo[1,5-a]pyrazin-4-amine
SMILESNCC1(CNc2nccn3ncc(Br)c23)CCC1
InChIInChI=1S/C12H16BrN5/c13-9-6-17-18-5-4-15-11(10(9)18)16-8-12(7-14)2-1-3-12/h4-6H,1-3,7-8,14H2,(H,15,16)
InChIKeyAVESTZADPCJJLK-UHFFFAOYSA-N
XLogP2.03
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[(3-morpholin-4-yloxan-3-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 154868114
N-(8-bicyclo[5.1.0]octanylmethyl)-3-bromopyrazolo[1,5-a]pyrazin-4-amine
CID 167790545
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-bromo-5-chloropyridin-2-amine
CID 114838734
N-[2-[[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide
CID 167982429
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-methylpyrazol-4-amine
CID 103568795
N-[[1-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-methylpyridin-2-amine
CID 113360041
3-[[1-(aminomethyl)cyclopropyl]methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 113313728
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103386537
N-[(1-aminocyclobutyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 103353997
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 103970405
N-[(1-ethylcyclobutyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104924692
5-[(3-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-4-phenylpentan-2-ol
CID 167952717

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-3-bromopyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-3-bromopyrazolo[1,5-a]pyrazin-4-amine (CID 167890633) is N-[[1-(aminomethyl)cyclobutyl]methyl]-3-bromopyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-3-bromopyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-3-bromopyrazolo[1,5-a]pyrazin-4-amine is NCC1(CNc2nccn3ncc(Br)c23)CCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-3-bromopyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is AVESTZADPCJJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5/c13-9-6-17-18-5-4-15-11(10(9)18)16-8-12(7-14)2-1-3-12/h4-6H,1-3,7-8,14H2,(H,15,16).
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-3-bromopyrazolo[1,5-a]pyrazin-4-amine?
N-[[1-(aminomethyl)cyclobutyl]methyl]-3-bromopyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 310.20 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-3-bromopyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 167890633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).