1-(cyclopropylmethyl)-5-pyridin-3-yl-4,5-dihydroimidazol-2-amine

C12H16N4 — CID 79520544

IUPAC1-(cyclopropylmethyl)-5-pyridin-3-yl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cccnc2)N1CC1CC1
InChIInChI=1S/C12H16N4/c13-12-15-7-11(10-2-1-5-14-6-10)16(12)8-9-3-4-9/h1-2,5-6,9,11H,3-4,7-8H2,(H2,13,15)
InChIKeyNQUUCESQAVVSNN-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.16
Rot. Bonds3

About 1-(cyclopropylmethyl)-5-pyridin-3-yl-4,5-dihydroimidazol-2-amine

1-(cyclopropylmethyl)-5-pyridin-3-yl-4,5-dihydroimidazol-2-amine (PubChem CID 79520544) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-pyridin-3-yl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-pyridin-3-yl-4,5-dihydroimidazol-2-amine
PubChem CID79520544
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1-(cyclopropylmethyl)-5-pyridin-3-yl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cccnc2)N1CC1CC1
InChIInChI=1S/C12H16N4/c13-12-15-7-11(10-2-1-5-14-6-10)16(12)8-9-3-4-9/h1-2,5-6,9,11H,3-4,7-8H2,(H2,13,15)
InChIKeyNQUUCESQAVVSNN-UHFFFAOYSA-N
XLogP1.16
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-pyridin-3-yl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(cyclopropylmethyl)-5-pyridin-3-yl-4,5-dihydroimidazol-2-amine (CID 79520544) is 1-(cyclopropylmethyl)-5-pyridin-3-yl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-pyridin-3-yl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-5-pyridin-3-yl-4,5-dihydroimidazol-2-amine is NC1=NCC(c2cccnc2)N1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-pyridin-3-yl-4,5-dihydroimidazol-2-amine?
The InChIKey is NQUUCESQAVVSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c13-12-15-7-11(10-2-1-5-14-6-10)16(12)8-9-3-4-9/h1-2,5-6,9,11H,3-4,7-8H2,(H2,13,15).
What are the key properties of 1-(cyclopropylmethyl)-5-pyridin-3-yl-4,5-dihydroimidazol-2-amine?
1-(cyclopropylmethyl)-5-pyridin-3-yl-4,5-dihydroimidazol-2-amine has a molecular weight of 216.29 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-pyridin-3-yl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79520544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).